| SpectraBase Compound ID | FoOfAVR2tWz |
|---|---|
| InChI | InChI=1S/C8H11S.CH4O4S/c1-9(2)8-6-4-3-5-7-8;1-5-6(2,3)4/h3-7H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1 |
| InChIKey | VDPVRICLAVNUHO-UHFFFAOYSA-M |
| Mol Weight | 250.33 g/mol |
| Molecular Formula | C9H14O4S2 |
| Exact Mass | 250.033351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFIqQt407R5 |
|---|---|
| Name | Dimethylphenylsulfonium methyl sulfate; sulfonium, dimethylphenyl-, methyl sulfate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.033351275 u |
| Formula | C9H14O4S2 |
| InChI | InChI=1S/C8H11S.CH4O4S/c1-9(2)8-6-4-3-5-7-8;1-5-6(2,3)4/h3-7H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1 |
| InChIKey | VDPVRICLAVNUHO-UHFFFAOYSA-M |
| Molecular Weight | 250.327 g/mol |
| SMILES | C1(=CC=CC=C1)[S+](C)C.COS(=O)(=O)[O-] |